HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-(Trifluoromethyl)benzenecarbothioyl chloride → HCID 86625561, compound
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | 4-(Trifluoromethyl)benzenecarbothioyl chloride | HCID 19862484 | — |
| Reactant | 2-amino-3-(4-chloro-6-methoxy-2H-benzotriazol-2-yl)-2-methylpropionitrile | HCID 66620683 | — |
| Product | HCID 86625561 | HCID 86625561 | — |
Reaction Steps
Using a procedure similar to that described in Example 1, except using 2-amino-3-(4-chloro-6-methoxy-2H-benzotriazol-2-yl)-2-methylpropionitrile (50 mg, described in Example 42) and 4-trifluoromethylthiobenzoyl chloride (0.04 mL), the title compound was isolated as a white solid (45 mg, 51%). MS (ES): M/Z [M+H]=470. 1H NMR: (400 MHz, DICHLOROMETHANE-d2): 1.86 (s, 3H), 3.88 (s, 3H), 5.11 (d, J=13.9 Hz, 1H), 5.36 (d, J=13.9 Hz, 1H), 7.05 (d, J=2.1 Hz, 1H), 7.20 (d, J=2.0 Hz, 1H), 7.72 (s, 1H), 7.79 (d, J=8.2 Hz, 2H) and 7.92 (d, J=8.6 Hz, 2H). 19F NMR (376 MHz, DICHLOROMETHANE-d2): −42.8 (s, 3F).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08822689B2 |
| Source dataset | uspto-grants-2014_09 |
| ORD ID | ord-5913475489f04b3b804d4727eca37ed2 |
| Source note | uspto-grants-2014_09 |